P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma    
MODE OF CALC=RELA unit=bohr
 13.133597  7.369932 17.801220 90.000000 90.000000 90.000000
ATOM  -1: X=0.21800000 Y=0.25000000 Z=0.34100000
          MULT= 4          ISPLIT=15
      -1: X=0.78200000 Y=0.75000000 Z=0.65900000
      -1: X=0.71800000 Y=0.25000000 Z=0.15900000
      -1: X=0.28200000 Y=0.75000000 Z=0.84100000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11500000 Y=0.25000000 Z=0.04100000
          MULT= 4          ISPLIT=15
      -2: X=0.88500000 Y=0.75000000 Z=0.95900000
      -2: X=0.61500000 Y=0.25000000 Z=0.45900000
      -2: X=0.38500000 Y=0.75000000 Z=0.54100000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.08800000 Y=0.25000000 Z=0.64000000
          MULT= 4          ISPLIT=15
      -3: X=0.91200000 Y=0.75000000 Z=0.36000000
      -3: X=0.58800000 Y=0.25000000 Z=0.86000000
      -3: X=0.41200000 Y=0.75000000 Z=0.14000000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000